SCHEMBL346170

SCHEMBL346170

COC(=O)C1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.57
DRD3 P35462 5/20 0.57
HTR1D P28221 1/20 0.57
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
FAAH O00519 6/20 0.43
ACHE P22303 4/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
PKM P14618 1/20 0.40
NQO2 P16083 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL346606 0.95 DRD2 (0.52) DRD2DRD3HTR1DFAAHACHE
SCHEMBL12472925 0.90 DRD2 (0.50) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL10197905 0.86 MTNR1A (0.48) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL8074296 0.83 MTNR1A (0.63) DRD2DRD3MTNR1AMTNR1BFAAH
SCHEMBL8606735 0.83 MTNR1A (0.63) DRD2DRD3MTNR1AMTNR1BFAAH
SCHEMBL545767 0.83 MTNR1A (0.63) DRD2DRD3MTNR1AMTNR1BFAAH
SCHEMBL6936763 0.82 DRD2 (0.52) DRD2DRD3HTR1DFAAHPKM
SCHEMBL6749712 0.82 DRD2 (0.50) DRD2DRD3HTR1DFAAH
SCHEMBL25026109 0.80 MAPT (0.41) MTNR1AMTNR1B
SCHEMBL30934719 0.80 MAPT (0.41) MTNR1AMTNR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 DRD2 2431/4885DRD3 2545/4885HTR1D 1916/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 DRD2 1767/4885DRD3 1694/4885HTR1D 736/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.